![1-sec-butyl-1H-benzo[1,3,2]diazaphosphole structure](/static/products/7091/70919-96-9.webp)
1-sec-butyl-1H-benzo[1,3,2]diazaphosphole
TL;DR: 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole (CAS 70919-96-9) is a chemical compound with molecular formula C25H29BrN6O6 and molecular weight 588.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]pyridin-1-ium-4-yl]-3,4,5-trimethoxybenzamide bromide
Also Known As: 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole, Pyridinium, 1-(3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-7-yl)propyl)-4-((3,4,5-trimethoxybenzoyl)amino)-, bromide, 1-[3-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-purin-7-yl)-propyl]-4-(3,4,5-trimethoxy-benzoylamino)-pyridinium; bromide, N-[1-[3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)propyl]pyridin-4-yl]-3,4,5-trimethoxy-benzamide Bromide, N-[1-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]pyridin-1-ium-4-yl]-3,4,5-trimethoxybenzamide bromide
| Molecular Formula | C25H29BrN6O6 |
|---|---|
| Molecular Weight | 588.13 g/mol |
| LogP | -1.9064 |
| Topological Polar Surface Area | 122.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 588.1332 |
| Heavy Atoms | 38 |
| Complexity | 1549.4896 |
Chemical Identifiers
| CAS Number | 70919-96-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC[N+]3=CC=C(C=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC.[Br-] |
Product Overview
1-sec-butyl-1H-benzo[1,3,2]diazaphosphole (CAS 70919-96-9), with molecular formula C25H29BrN6O6 and molecular weight 588.13 g/mol. IUPAC: N-[1-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]pyridin-1-ium-4-yl]-3,4,5-trimethoxybenzamide bromide.
Chemical Property Profile of 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole
Property Insights of 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole
The XLogP value of -1.9064 indicates that 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole. Following Lipinski's Rule of Five, 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole?
The CAS number of 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole is 70919-96-9.
What is the molecular formula of 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole?
The molecular formula of 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole is C25H29BrN6O6.
What is the molecular weight of 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole?
The molecular weight of 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole is 588.13 g/mol.
Where can I buy 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole?
You can request a quote for 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole?
Yes, KEHONG BIO provides custom synthesis services for 1-sec-butyl-1H-benzo[1,3,2]diazaphosphole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.